[(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea

C18H17ClFN3O3 — CID 170702571

IUPAC[(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
SMILESCc1ccc2c(c1Oc1cc(F)ccc1Cl)N(C)C(=O)[C@H](NC(N)=O)C2
InChIInChI=1S/C18H17ClFN3O3/c1-9-3-4-10-7-13(22-18(21)25)17(24)23(2)15(10)16(9)26-14-8-11(20)5-6-12(14)19/h3-6,8,13H,7H2,1-2H3,(H3,21,22,25)/t13-/m1/s1
InChIKeyMQKSVXNOEUSSME-CYBMUJFWSA-N
MW377.80 g/mol
LogP3.14
Rot. Bonds3

About [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea

[(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea (PubChem CID 170702571) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
PubChem CID170702571
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC Name[(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
SMILESCc1ccc2c(c1Oc1cc(F)ccc1Cl)N(C)C(=O)[C@H](NC(N)=O)C2
InChIInChI=1S/C18H17ClFN3O3/c1-9-3-4-10-7-13(22-18(21)25)17(24)23(2)15(10)16(9)26-14-8-11(20)5-6-12(14)19/h3-6,8,13H,7H2,1-2H3,(H3,21,22,25)/t13-/m1/s1
InChIKeyMQKSVXNOEUSSME-CYBMUJFWSA-N
XLogP3.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea (CID 170702571) is [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea is Cc1ccc2c(c1Oc1cc(F)ccc1Cl)N(C)C(=O)[C@H](NC(N)=O)C2.
What is the InChIKey of [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is MQKSVXNOEUSSME-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c1-9-3-4-10-7-13(22-18(21)25)17(24)23(2)15(10)16(9)26-14-8-11(20)5-6-12(14)19/h3-6,8,13H,7H2,1-2H3,(H3,21,22,25)/t13-/m1/s1.
What are the key properties of [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
[(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 377.80 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-8-(2-chloro-5-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 170702571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).